%chk=000206185.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206185

0 1
S 0.821574 -2.332006 -0.026335
O -0.901081 2.376888 0.012676
N -2.430902 0.686026 0.007581
N -1.837803 -1.636713 -0.013414
N -3.496125 1.630329 0.012142
C 1.360077 0.205245 0.008930
C 2.109874 1.493757 0.049645
C 3.582505 1.286409 -0.342516
C 4.187311 0.051863 0.344929
C 3.439653 -1.242733 -0.039063
C 1.977184 -1.013230 -0.010311
C -0.083130 0.097228 0.007145
C -0.525070 -1.230563 -0.009145
C -1.040224 1.170047 0.010718
C -2.781302 -0.687403 -0.004080
C -4.214799 -1.082301 -0.006630
H 1.628137 2.245027 -0.612841
H 2.035914 1.924221 1.072066
H 3.658862 1.174151 -1.441834
H 4.167844 2.187742 -0.082712
H 4.149688 0.185052 1.443800
H 5.255909 -0.043375 0.079628
H 3.735694 -2.061701 0.648052
H 3.749050 -1.568319 -1.056468
H -4.742392 -0.692725 0.880636
H -4.333786 -2.179605 -0.017576
H -4.744331 -0.674852 -0.884703
H -3.393876 2.239245 0.839276
H -3.389856 2.251898 -0.805096


%chk=000206185-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206185

0 1
S 0.809795 -2.408087 -0.051516
O -0.893604 2.415280 0.047362
N -2.454812 0.656690 0.016962
N -1.868476 -1.654043 -0.029017
N -3.505917 1.629497 0.034692
C 1.350672 0.220807 0.005486
C 2.135595 1.520424 0.027738
C 3.615869 1.290468 -0.363007
C 4.211263 0.064194 0.369475
C 3.474398 -1.242114 -0.033998
C 1.984018 -1.012926 -0.023173
C -0.092943 0.097759 0.008789
C -0.561385 -1.235994 -0.021335
C -1.082309 1.159685 0.027089
C -2.804551 -0.699994 -0.009039
C -4.261184 -1.075946 -0.014340
H 1.655713 2.256009 -0.641893
H 2.074747 1.963585 1.042283
H 3.688518 1.127511 -1.457151
H 4.204898 2.197560 -0.131460
H 4.118985 0.213153 1.463204
H 5.288773 -0.039032 0.141994
H 3.751497 -2.063780 0.654588
H 3.800930 -1.559507 -1.046155
H -4.779719 -0.683585 0.877344
H -4.327884 -2.173547 -0.036424
H -4.782689 -0.647606 -0.887506
H -3.404229 2.204745 0.885516
H -3.401371 2.238397 -0.792010


